Known targets — ChEMBL curated mechanism
ADRA2AADRA2BADRA2CADRB2AGTR1AVPR1AAVPR1BAVPR2BDKRB2CALCRCHRNA3CHRNB4ESR1ESR2GHSRGNRHRGSC1HSPA8MALT1MC1RMC4RNOS1NOS2NOS3OPRK1OXTRRAMP1RAMP2RAMP3SCN5ASSTR1SSTR2SSTR3SSTR4SSTR5dacAdacBdacCfolPftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of 1,4-Butanediol. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.46 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.46 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.46 |
| ▸ | FFAR3 | O14843 | 1/20 | 0.44 |
| ▸ | LCK | P06239 | 1/20 | 0.44 |
| ▸ | FYN | P06241 | 1/20 | 0.44 |
| ▸ | CAMK2A | Q9UQM7 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | CYP4F2 | P78329 | 4/20 | 0.38 |
| ▸ | CYP4A11 | Q02928 | 4/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | MGAM | O43451 | 1/20 | 0.35 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| 1,3-Propanediol SCHEMBL7184534 | 0.94 | FFAR3 (0.44) | GPR84FFAR1FFAR4FFAR3LCK | |
| 1,4-Butanediol SCHEMBL1680038 | 0.90 | FFAR3 (0.54) | GPR84FFAR1FFAR4FFAR3LCK | |
| 1,4-Butanediol SCHEMBL3332310 | 0.90 | FFAR3 (0.54) | GPR84FFAR1FFAR4FFAR3LCK | |
| 1,4-Butanediol SCHEMBL28269711 | 0.90 | FFAR3 (0.54) | GPR84FFAR1FFAR4FFAR3LCK | |
| 1-Pentanol SCHEMBL28202841 | 0.87 | SMN1; SMN2 (0.57) | GPR84FFAR1FFAR4SMN1; SMN2ALDH1A1 | |
| Acetic Acid SCHEMBL11291740 | 0.87 | GPR84 (0.58) | GPR84FFAR1FFAR4FFAR3LCK | |
| Acetic Acid SCHEMBL28557074 | 0.87 | GPR84 (0.58) | GPR84FFAR1FFAR4FFAR3LCK | |
| 1,6-Hexanediol SCHEMBL28434993 | 0.87 | GPR84 (0.58) | GPR84FFAR1FFAR4FFAR3LCK | |
| Acetic Acid SCHEMBL79590 | 0.87 | FFAR3 (0.50) | FFAR3LCKFYNCAMK2AALDH1A1 | |
| 1,5-Pentanediol SCHEMBL5373304 | 0.87 | GPR84 (0.58) | GPR84FFAR1FFAR4FFAR3LCK |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-104981736-A | Photosensitive resin composition for inkjet coating, heat-treated product and method for producing same, resin pattern production method, liquid crystal display device, organic EL display device, touch panel and method for producing same, and touch panel display device | FUJIFILM CORP | 2015-10-14 | — | — | CN | disclosed |